Chem
J-GLOBAL ID:200907048857642158   Nikkaji number:J11.258E

Arjunglucoside III

アルジュングルコシドIII
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C36H56O11
Molecular formula furigana: C36-H56-O11
Molecular weight: 664.833
InChI: InChI=1S/C36H56O11/c1-31(2)10-12-36(30(45)47-29-25(42)24(41)23(40)20(16-37)46-29)13-11-34(6)17(22(36)28(31)44)14-18(38)26-33(5)15-19(39)27(43)32(3,4)21(33)8-9-35(26,34)7/h14,19-29,37,39-44H,8-13,15-16H2,1-7H3/t19-,20-,21+,22-,23-,24+,25-,26-,27+,28+,29+,33+,34-,35-,36+/m1/s1
InChI key: QRBQBRULJDJSSP-XTPLGFNASA-N
SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@@H]1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • 2α,3β,19α-トリヒドロキシ-11-オキソオレアナ-12-エン-28-酸[β-D-グルコピラノシル]
  • (2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル (1S,4aR,6aS,6bR,8aR,10R,11R,12aS,12bR,14bS)-1,10,11-トリヒドロキシ-2,2,6a,6b,9,9,12a-ヘプタメチル-13-オキソ-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-4a-カルボキシラート
  • (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1S,4aR,6aS,6bR,8aR,10R,11R,12aS,12bR,14bS)-1,10,11-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
Other name (3):
  • アルジュングルコシドIII
  • Arjunglucoside III
  • 2α,3β,19α-Trihydroxy-11-oxoolean-12-en-28-oic acid [β-D-glucopyranosyl] ester
CAS registry number: 72547-74-1
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